1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine

C21H17Br2NO2 — CID 126219590

IUPAC1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
SMILESCCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br
InChIInChI=1S/C21H17Br2NO2/c1-2-25-21-19(22)12-15(13-20(21)23)14-24-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-14H,2H2,1H3/b24-14+
InChIKeyUDGISRAFSHURAJ-ZVHZXABRSA-N
MW475.18 g/mol
LogP7.15
Rot. Bonds6

About 1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine

1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine (PubChem CID 126219590) has the molecular formula C21H17Br2NO2 and a molecular weight of 475.18 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
PubChem CID126219590
Molecular FormulaC21H17Br2NO2
Molecular Weight475.18 g/mol
Exact Mass472.96
IUPAC Name1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
SMILESCCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br
InChIInChI=1S/C21H17Br2NO2/c1-2-25-21-19(22)12-15(13-20(21)23)14-24-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-14H,2H2,1H3/b24-14+
InChIKeyUDGISRAFSHURAJ-ZVHZXABRSA-N
XLogP7.15
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.18
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126214053
1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 50884560
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
CID 50885405
1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126205744
[2-bromo-6-ethoxy-4-[(4-phenoxyphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126217420
1-[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126221350
1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220469
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126223775
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 50885371

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine (CID 126219590) is 1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine is CCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br.
What is the InChIKey of 1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
The InChIKey is UDGISRAFSHURAJ-ZVHZXABRSA-N. The full InChI is InChI=1S/C21H17Br2NO2/c1-2-25-21-19(22)12-15(13-20(21)23)14-24-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-14H,2H2,1H3/b24-14+.
What are the key properties of 1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine has a molecular weight of 475.18 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 126219590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).